2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-(3-methoxyphenyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-3-(3-methoxyphenyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C23H26N2O3S2 MolecularWeight: 442.59414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC(=CC=C4)OC

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H26N2O3S2/c1-23(2,3)18(26)13-29-22-24-20-19(16-10-5-6-11-17(16)30-20)21(27)25(22)14-8-7-9-15(12-14)28-4/h7-9,12H,5-6,10-11,13H2,1-4H3